4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine

C17H16F3N7O — CID 133445982

IUPAC4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)cc(-n2cccn2)n1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)11-2-3-15(22-9-11)28-12-4-7-26(10-12)13-8-14(25-16(21)24-13)27-6-1-5-23-27/h1-3,5-6,8-9,12H,4,7,10H2,(H2,21,24,25)
InChIKeyWDTOVRHNMWUEQC-UHFFFAOYSA-N
MW391.36 g/mol
LogP2.32
Rot. Bonds4

About 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine

4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 133445982) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID133445982
Molecular FormulaC17H16F3N7O
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC Name4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)cc(-n2cccn2)n1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)11-2-3-15(22-9-11)28-12-4-7-26(10-12)13-8-14(25-16(21)24-13)27-6-1-5-23-27/h1-3,5-6,8-9,12H,4,7,10H2,(H2,21,24,25)
InChIKeyWDTOVRHNMWUEQC-UHFFFAOYSA-N
XLogP2.32
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
3-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 133446318
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133446138
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
2-[(3R)-1-(2-nitrophenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 156815273
2-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446162

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine (CID 133445982) is 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine is Nc1nc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)cc(-n2cccn2)n1.
What is the InChIKey of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is WDTOVRHNMWUEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c18-17(19,20)11-2-3-15(22-9-11)28-12-4-7-26(10-12)13-8-14(25-16(21)24-13)27-6-1-5-23-27/h1-3,5-6,8-9,12H,4,7,10H2,(H2,21,24,25).
What are the key properties of 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine?
4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 391.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133445982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).